期刊
INORGANIC CHEMISTRY
卷 58, 期 21, 页码 14304-14315出版社
AMER CHEMICAL SOC
DOI: 10.1021/acs.inorgchem.9b00186
关键词
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资金
- JSPS KAKENHI [16J04046, 16H04131, 17K17793, 18H01863, 18KK0150]
- Toukai Foundation for Technology
- European Commission through a Marie Sklodowska-Curie Action
- Swedish Research Council-VR [2014-6426, 2016-06955]
- Carl Trygger Foundation for Scientific Research [CTS-16:324]
- Swedish Research Council (VR) [2017-05078]
- Grants-in-Aid for Scientific Research [16J04046, 17K17793, 18KK0150, 16H04131, 18H01863] Funding Source: KAKEN
Anomalous successive structural transitions in layered 1T-CrSe2 with an unusual Cr4+ valency were investigated by synchrotron X-ray diffraction. 1T-CrSe2 exhibits dramatic structural changes in in-plane Cr-Cr and interlayer Se-Se distances, which originate from two interactions: (i) in-plane Cr-Cr interactions derived from Peierls-like trimerization instabilities on the orbitally assisted one-dimensional chains and (ii) interlayer Se-Se interactions through p-p hybridization. As a result, 1T-CrSe2 has the unexpected ground state of an antiferromagnetic metal with multiple Cr linear trimers with three-center-two-electron sigma bonds. Interestingly, partial substitution of Se for S atoms in 1T-CrSe2 changes the ground state from an antiferromagnetic metal to an insulator without long-range magnetic ordering, which is due to the weakening of interlayer interactions between anions. The unique low-temperature structures and electronic states of this system are determined by the competition and cooperation of in-plane Cr-Cr and interlayer Se-Se interactions.
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